HRID2128175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID4574913

未命名化合物

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID13401968

未命名化合物

结构：CC(Nc1nc(Cl)cc(Nc2cnccn2)n1)c1ccc(F)cc1

HCID178463434

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC1CN(c2cc(Nc3cnccn3)nc(NC(C)c3ccc(F)cc3)n2)C1

HCID67007787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-120b90357f53461c9c9d227d4ebb0e8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:86]1[O:87][CH2:88][CH2:89][O:90][CH2:91]1.[CH3:74][C:75]([CH3:76])([O-:77])[CH3:78].[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[CH3:92][CH2:93][N:94]([CH2:95][CH3:96])[CH2:97][CH3:98].[CH:40]1([P:41]([CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2-[c:54]2[c:55]([CH:56]([CH3:57])[CH3:58])[cH:59][c:60]([CH:61]([CH3:62])[CH3:63])[cH:64][c:65]2[CH:66]([CH3:67])[CH3:68])[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]1.[Cl:16][c:17]1[cH:18][c:19]([NH:33][c:34]2[n:35][cH:36][cH:37][n:38][cH:39]2)[n:20][c:21]([NH:23][CH:24]([CH3:25])[c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)[n:22]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH:8]1[CH2:9][CH:10]([NH:12][C:13]([CH3:14])=[O:15])[CH2:11]1.[Na+:79]>>[N:8]1([c:17]2[cH:18][c:19]([NH:33][c:34]3[n:35][cH:36][cH:37][n:38][cH:39]3)[n:20][c:21]([NH:23][CH:24]([CH3:25])[c:26]3[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]3)[n:22]2)[CH2:9][CH:10]([NH:12][C:13]([CH3:14])=[O:15])[CH2:11]1